LaCrO3
Lanthanum chromite · Lanthanum chromium oxide
Lanthanum chromite is a ceramic material known for its stability at high temperatures and its electrical conductivity. It is frequently utilized as a functional component in devices that operate under extreme thermal conditions.
Overview
Key Properties
Cross-validated computational properties for Lanthanum chromite, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
1.90–2.37 eV
Range across DFT structures
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
0.000 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
13
4 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LaCrO3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.37 | 0.0000 | -9.083 | 6.71 |
| R-3c (No. 167) | trigonal | 0.00 | 0.0035 | -9.080 | 6.73 |
| Pm-3m (No. 221) | cubic | 1.90 | 0.0915 | -8.992 | 6.55 |
| Pm-3m (No. 221) | Cubic | — | — | — | 6.55 |
| Pm-3m (No. 221) | Cubic | — | — | — | 7.07 |
| Pm-3m (No. 221) | Cubic | — | — | — | 6.79 |
| No. 0 | unknown | — | — | — | 0.77 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting LaCrO3.
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses
Applications
Where Lanthanum chromite is used.
Solid oxide fuel cell interconnectsHigh-temperature heating elementsCatalytic materialsOxygen sensors
Reference
Frequently Asked Questions
Common questions about Lanthanum chromite, answered from cross-validated data.
What is LaCrO3?
Lanthanum chromite is a ceramic material known for its stability at high temperatures and its electrical conductivity. It is frequently utilized as a functional component in devices that operate under extreme thermal conditions.
More questions
What is LaCrO3 used for?
Lanthanum chromite (LaCrO3) is used in solid oxide fuel cell interconnects, high-temperature heating elements, catalytic materials, and oxygen sensors.
What is the band gap of LaCrO3?
Lanthanum chromite (LaCrO3) has a DFT-computed band gap of 1.90–2.37 eV across 13 reported structures.
Is LaCrO3 a metal, semiconductor, or insulator?
With a band gap up to 2.37 eV it is a semiconductor.
Is LaCrO3 thermodynamically stable?
Yes — Lanthanum chromite (LaCrO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LaCrO3?
The lowest-energy reported polymorph of Lanthanum chromite (LaCrO3) is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of LaCrO3?
The computed density of the ground-state structure of Lanthanum chromite (LaCrO3) is 6.71 g/cm³.
How many polymorphs of LaCrO3 are known?
13 structures of LaCrO3 are reported across 4 databases, spanning 4 distinct space groups.
How is LaCrO3 synthesized?
Literature-reported routes for LaCrO3 include sol-gel (10 procedures documented).
What elements does LaCrO3 contain?
Lanthanum chromite (LaCrO3) contains Cr, La, and O (3 elements).
Where does the data for LaCrO3 come from?
LaCrO3 data is cross-referenced from materials_project, mpaloe, cod, jarvis.
Explore
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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